Canada Research Chair in Scientific Modeling and Simulation

生物分子应用的高质量分子结构和功能建模将扩展到为纳米技术设计纳米结构元素。我们的组合量子化学方法使用分子片段的电子密度形状数据库，将使用无机纳米结构元素来增强。将研究生物分子、新型无机纳米弹簧、具有结构和电子控制的附加生化功能的纳米针。我们的大分子ADMA软件用于可靠的形状和能量计算以及尺寸控制的数据库搜索方法将与分子水平的虚拟现实软件相结合。应用：制药、毒理学、生物技术、海洋环境、纳米技术和使用大分子尺寸电子器件的分子水平信息技术。

The High Quality Molecular Structure and Function Modeling of biomolecular applications will be extended to designing nanostructure elements for nanotechnology. Our Combinatorial Quantum Chemistry approach using electron density shape databanks of molecular fragments will be augmented with inorganic nanostructure elements. Biomolecules, novel inorganic nano-springs, nano-needles with added biochemical functions controlled structurally and electronically will be studied. Our macromolecular ADMA softwares for reliable shape and energy computations and dimension-controlled databank search methods will be combined to molecular level virtual reality software. Applications: pharmaceuticals, toxicology, biotechnology, marine environment, nanotechnology, and molecular level information technology using macromolecule-size electronic devices.